2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

C11H15NO — CID 12798228

IUPAC2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1cc(=O)c2c([nH]1)CCC(C)C2
InChIInChI=1S/C11H15NO/c1-7-3-4-10-9(5-7)11(13)6-8(2)12-10/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyRVZMEVJQIUQKDF-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.81
Rot. Bonds

About 2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one

2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 12798228) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID12798228
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1cc(=O)c2c([nH]1)CCC(C)C2
InChIInChI=1S/C11H15NO/c1-7-3-4-10-9(5-7)11(13)6-8(2)12-10/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyRVZMEVJQIUQKDF-UHFFFAOYSA-N
XLogP1.81
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-pentanoyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 44560612
2-Methyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 12798227
2,7(1H,3H)-Quinolinedione, 4,4a,5,6-tetrahydro-
CID 10997393
2-(Trifluoromethyl)-5,6,7,8-tetrahydroquinolin-4-ol
CID 15171318
2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285879
2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285891
2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129299424
2,3-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129299425
2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane
CID 145341638
2,3-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane
CID 145341659
(5R,8R)-8-fluoro-5-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164582997
(5S,8S)-5-ethyl-8-fluoro-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 164583505

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 12798228) is 2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1cc(=O)c2c([nH]1)CCC(C)C2.
What is the InChIKey of 2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is RVZMEVJQIUQKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-7-3-4-10-9(5-7)11(13)6-8(2)12-10/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 177.25 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 12798228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).